SCHEMBL4765819

SCHEMBL4765819

Cc1[nH]c(=O)n(Cc2ccncc2)c(=O)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.42
HSPE1 P61604 1/20 0.42
TYMS P04818 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TLR7 Q9NYK1 1/20 0.41
POLB P06746 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
TNF P01375 1/20 0.40
CXCL8 P10145 1/20 0.40
G6PD P11413 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
NOD2 Q9HC29 1/20 0.40
TLR9 Q9NR96 1/20 0.40
NOD1 Q9Y239 1/20 0.40
DHFR P00374 1/20 0.38
PDE4A P27815 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4762293 0.84 KMT2A (0.48) HSPD1HSPE1TYMSMEN1KMT2A
SCHEMBL4765767 0.82 ALDH1A1 (0.53) TYMSMEN1KMT2ATLR7MAPT
SCHEMBL4767367 0.80 HSPD1 (0.41) HSPD1HSPE1TYMSMEN1KMT2A
SCHEMBL4766006 0.78 PDE4A (0.44) HSPD1HSPE1MEN1KMT2APOLB
SCHEMBL4771305 0.76 HTT (0.44) HSPD1HSPE1MEN1KMT2APOLB
SCHEMBL4769800 0.75 ALDH1A1 (0.42) HSPD1HSPE1MEN1KMT2APOLB
SCHEMBL4772758 0.75 ADORA2B (0.50) HSPD1HSPE1MEN1KMT2APOLB
SCHEMBL5781010 0.74 MEN1 (0.33) HSPD1HSPE1MEN1KMT2APOLB
SCHEMBL4767502 0.73 ADORA2B (0.40) POLBMAPTHTTRAB9ATLR9
SCHEMBL4769688 0.73 PDE4A (0.40) HSPD1HSPE1MEN1KMT2APOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 HSPD1 1658/4885HSPE1 2488/4885TYMS 1592/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.